N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide

C34H44N2O6 — CID 23043900

IUPACN'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide
SMILESCOc1cc(CCc2c(CCNC(=O)CCCCC(=O)NCCc3ccccc3)ccc(OC)c2OC)cc(OC)c1
InChIInChI=1S/C34H44N2O6/c1-39-28-22-26(23-29(24-28)40-2)14-16-30-27(15-17-31(41-3)34(30)42-4)19-21-36-33(38)13-9-8-12-32(37)35-20-18-25-10-6-5-7-11-25/h5-7,10-11,15,17,22-24H,8-9,12-14,16,18-21H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyLSPLCPRRNNZPLG-UHFFFAOYSA-N
MW576.73 g/mol
LogP5.08
Rot. Bonds18

About N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide

N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide (PubChem CID 23043900) has the molecular formula C34H44N2O6 and a molecular weight of 576.73 g/mol. Its IUPAC name is N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide.

Molecular Properties

Compound NameN'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide
PubChem CID23043900
Molecular FormulaC34H44N2O6
Molecular Weight576.73 g/mol
Exact Mass576.32
IUPAC NameN'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide
SMILESCOc1cc(CCc2c(CCNC(=O)CCCCC(=O)NCCc3ccccc3)ccc(OC)c2OC)cc(OC)c1
InChIInChI=1S/C34H44N2O6/c1-39-28-22-26(23-29(24-28)40-2)14-16-30-27(15-17-31(41-3)34(30)42-4)19-21-36-33(38)13-9-8-12-32(37)35-20-18-25-10-6-5-7-11-25/h5-7,10-11,15,17,22-24H,8-9,12-14,16,18-21H2,1-4H3,(H,35,37)(H,36,38)
InChIKeyLSPLCPRRNNZPLG-UHFFFAOYSA-N
XLogP5.08
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.73
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide with MolForge

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Related Compounds

N-(2-cyclohexylethyl)-N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]hexanediamide
CID 57235543
N'-[2-(3,4-dimethoxy-2-phenylsulfanylphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838103
N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;hydrochloride
CID 44523550
N'-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838083
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-[2-(3-methoxyphenyl)ethyl]hexane-1,6-diamine
CID 23044051
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
2-(2,4-dimethoxy-3-methylphenyl)-N-(2-phenylethyl)acetamide
CID 110769821
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide?
The IUPAC name of N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide (CID 23043900) is N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide.
What is the SMILES notation for N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide?
The canonical SMILES for N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide is COc1cc(CCc2c(CCNC(=O)CCCCC(=O)NCCc3ccccc3)ccc(OC)c2OC)cc(OC)c1.
What is the InChIKey of N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide?
The InChIKey is LSPLCPRRNNZPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N2O6/c1-39-28-22-26(23-29(24-28)40-2)14-16-30-27(15-17-31(41-3)34(30)42-4)19-21-36-33(38)13-9-8-12-32(37)35-20-18-25-10-6-5-7-11-25/h5-7,10-11,15,17,22-24H,8-9,12-14,16,18-21H2,1-4H3,(H,35,37)(H,36,38).
What are the key properties of N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide?
N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide has a molecular weight of 576.73 g/mol, XLogP of 5.08, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(3,5-dimethoxyphenyl)ethyl]-3,4-dimethoxyphenyl]ethyl]-N-(2-phenylethyl)hexanediamide is sourced from PubChem (CID 23043900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).